SCHEMBL18713488

SCHEMBL18713488

CN(C)c1ccc(-c2c3nc(c(-c4ccc([N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc([N+](C)(C)C)cc4)c4nc(c(-c5ccc(N(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.64
▸ TERT O14746 5/20 0.49
▸ CYCS P99999 3/20 0.47
▸ ENPP2 Q13822 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18155364 1.00 TOP1 (0.64) TOP1TERTCYCSENPP2ABCG2
SCHEMBL266547 0.91 TERT (0.57) TOP1TERTCYCSENPP2ABCG2
SCHEMBL17967720 0.90 TERT (0.55) TOP1TERTCYCSENPP2ABCG2
Hydrochloric Acid SCHEMBL3287053 0.90 TERT (0.55) TOP1TERTCYCSENPP2ABCG2
SCHEMBL29349689 0.90 TERT (0.59) TOP1TERTCYCSENPP2ABCG2
SCHEMBL29196451 0.90 TERT (0.55) TOP1TERTCYCSENPP2ABCG2
Hydrochloric Acid SCHEMBL29838107 0.90 TERT (0.55) TOP1TERTCYCSENPP2ABCG2
Bromide SCHEMBL4139455 0.90 TERT (0.55) TOP1TERTCYCSENPP2ABCG2
SCHEMBL4447465 0.89 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2
SCHEMBL30128562 0.89 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170095503-A1 INHIBITION OF ENDOSOMAL TOLL-LIKE RECEPTOR ACTIVATION DUKE UNIVERSITY (US) 2017-04-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170095503-A1 INHIBITION OF ENDOSOMAL TOLL-LIKE RECEPTOR ACTIVATION TLR3, TLR9, TLR1 TOP1 3591/4885TERT 4391/4885CYCS 4825/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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